2-(4-Chlorophenyl)-2-cyanoacetaldehyde

Modify Date: 2024-01-02 08:59:27

2-(4-Chlorophenyl)-2-cyanoacetaldehyde Structure
2-(4-Chlorophenyl)-2-cyanoacetaldehyde structure
Common Name 2-(4-Chlorophenyl)-2-cyanoacetaldehyde
CAS Number 62538-21-0 Molecular Weight 179.60300
Density 1.263 g/cm3 Boiling Point 283.8ºC at 760 mmHg
Molecular Formula C9H6ClNO Melting Point 157ºC
MSDS N/A Flash Point 125.4ºC

 Names

Name 2-(4-Chlorophenyl)-2-cyanoacetaldehyde
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.263 g/cm3
Boiling Point 283.8ºC at 760 mmHg
Melting Point 157ºC
Molecular Formula C9H6ClNO
Molecular Weight 179.60300
Flash Point 125.4ºC
Exact Mass 179.01400
PSA 40.86000
LogP 2.14608
Index of Refraction 1.552

 MSDS

Name: 2-(4-Chlorophenyl)-3-oxopropanenitrile 95+% Material Safety Data Sheet
Synonym: 2-(4-Chlorophenyl)-2-cyanoacetaldehyd
CAS: 62538-21-0
Section 1 - Chemical Product MSDS Name:2-(4-Chlorophenyl)-3-oxopropanenitrile 95+% Material Safety Data Sheet
Synonym:2-(4-Chlorophenyl)-2-cyanoacetaldehyd

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
62538-21-0 2-(4-Chlorophenyl)-3-oxopropanenitrile 95+% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 62538-21-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 144 - 146 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H6ClNO
Molecular Weight: 180

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acids, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 62538-21-0: AL8310000 LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Chlorophenyl)-3-oxopropanenitrile - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 62538-21-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 62538-21-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62538-21-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL8310000
CHEMICAL NAME :
Acetonitrile, 2-(p-chlorophenyl)-2-formyl-
CAS REGISTRY NUMBER :
62538-21-0
BEILSTEIN REFERENCE NO. :
0743641
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H6-Cl-N-O
MOLECULAR WEIGHT :
179.61
WISWESSER LINE NOTATION :
VHYCN&R DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

 Safety Information

Hazard Codes Xn: Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39
RIDADR UN 3276
HS Code 2926909090

 Synthetic Route

~69%

2-(4-Chlorophenyl)-2-cyanoacetaldehyde Structure

2-(4-Chlorophen...

CAS#:62538-21-0

Literature: Taliani, Sabrina; Pugliesi, Isabella; Barresi, Elisabetta; Salerno, Silvia; Marchand, Christophe; Agama, Keli; Simorini, Francesca; La Motta, Concettina; Marini, Anna Maria; Di Leva, Francesco Saverio; Marinelli, Luciana; Cosconati, Sandro; Novellino, Ettore; Pommier, Yves; Di Santo, Roberto; Da Settimo, Federico Journal of Medicinal Chemistry, 2013 , vol. 56, # 18 p. 7458 - 7462

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

2-(4-chlorophenyl)-3-oxopropanenitrile